KEGG   COMPOUND: C09129
Entry
C09129                      Compound                               
Name
Catharine
Formula
C46H54N4O10
Exact mass
822.384
Mol weight
822.9418
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09129  Catharine
Other DBs
CAS: 1355-31-3
PubChem: 11321
ChEBI: 3470
KNApSAcK: C00001705
3DMET: B02704
NIKKAJI: J446.472I
LinkDB
KCF data

ATOM        60
            1   C7a C    23.0490  -18.1439
            2   O7a O    21.6843  -18.1439
            3   C1a C    20.8549  -19.3958
            4   C8x C    18.5214  -15.4258
            5   C8x C    18.5614  -16.7127
            6   C8x C    19.6005  -17.3861
            7   C8x C    19.6611  -14.7978
            8   C8y C    20.7634  -15.4781
            9   C8y C    20.8033  -16.7652
            10  C1z C    24.0255  -15.9923
            11  C1x C    22.5194  -13.8900
            12  C1x C    23.8090  -13.6231
            13  N1y N    24.0192  -12.4924
            14  C4a C    23.2343  -11.3890
            15  O4a O    21.8859  -11.3922
            16  C8y C    22.7357  -16.1192
            17  C8y C    21.9806  -15.0790
            18  N4x N    21.9757  -17.1558
            19  C1z C    29.4299  -19.0794
            20  C1y C    30.5982  -18.3992
            21  C1y C    29.3657  -20.4236
            22  C8y C    27.1118  -19.0794
            23  C1x C    28.5737  -17.9764
            24  C1z C    31.7654  -19.0735
            25  N1y N    30.5865  -17.0374
            26  C1z C    30.6098  -21.0992
            27  N1y N    28.2672  -21.0992
            28  C8y C    27.1118  -20.4236
            29  C8x C    25.9505  -18.4166
            30  C1x C    29.2540  -16.9547
            31  C1y C    31.7770  -20.4295
            32  C2x C    32.9524  -18.3875
            33  C1b C    32.9174  -19.7317
            34  C1x C    31.7595  -16.3502
            35  C7a C    31.5440  -22.0322
            36  O1a O    30.2512  -22.8556
            37  C1a C    27.5917  -22.2441
            38  C8x C    25.9505  -21.1051
            39  C8y C    24.7925  -19.0794
            40  O7a O    32.9348  -21.0934
            41  C2x C    32.9581  -17.0258
            42  C1a C    34.0612  -18.8578
            43  O7a O    31.3786  -23.3344
            44  O6a O    32.8230  -22.3257
            45  C8y C    24.7925  -20.4236
            46  C7a C    34.2559  -21.0747
            47  O2a O    23.6429  -21.0875
            48  C1a C    34.8999  -19.9193
            49  O6a O    34.9232  -22.2198
            50  C1a C    22.4291  -20.5520
            51  O6a O    23.7244  -19.3258
            52  C1x C    24.7095  -14.7951
            53  C5x C    26.0883  -14.7951
            54  C2x C    25.1245  -11.8332
            55  C2y C    26.3627  -12.1640
            56  C1x C    26.7708  -13.5921
            57  O5x O    26.7708  -15.9911
            58  C1b C    27.5588  -11.4744
            59  C1a C    28.7618  -12.1640
            60  C1a C    31.3786  -24.7344
BOND        67
            1     4   5 1
            2    12  13 1
            3     5   6 2
            4    13  14 1
            5     6   9 1
            6    14  15 2
            7     8   7 1
            8     7   4 2
            9     8   9 2
            10   16  17 2
            11   19  20 1
            12   19  21 1
            13   19  22 1
            14   19  23 1 #Up
            15   20  24 1
            16   20  25 1
            17   21  26 1
            18   21  27 1
            19   22  28 2
            20   22  29 1
            21   23  30 1
            22   24  31 1
            23   24  32 1
            24   24  33 1 #Down
            25   25  34 1
            26   26  35 1 #Down
            27   26  36 1 #Up
            28   27  37 1
            29   28  38 1
            30   29  39 2
            31   31  40 1 #Up
            32   32  41 2
            33   33  42 1
            34   35  43 1
            35   35  44 2
            36   38  45 2
            37   40  46 1
            38   45  47 1
            39   46  48 1
            40   46  49 2
            41   47  50 1
            42   25  30 1
            43   26  31 1
            44   27  28 1
            45   34  41 1
            46   39  45 1
            47   10  39 1
            48   10   1 1 #Up
            49   17   8 1
            50    1  51 2
            51    9  18 1
            52   10  52 1
            53   18  16 1
            54   52  53 1
            55    1   2 1
            56   13  54 1
            57   54  55 2
            58   16  10 1
            59   53  56 1
            60   55  56 1
            61   12  11 1
            62   53  57 2
            63   11  17 1
            64   55  58 1
            65    2   3 1
            66   58  59 1
            67   43  60 1

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